SCHEMBL11642146

SCHEMBL11642146

COc1ccc2c(c1)C(=O)N=CC(C1CCCO1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
AR P10275 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 3/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 11/20 0.38
KDM4E B2RXH2 8/20 0.38
HSD17B10 Q99714 5/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL874411 0.76 KDM4E (0.48) ABCB1ARABCG2GAARAB9A
SCHEMBL17708769 0.70 CYP19A1 (0.56) GAACYP3A4CYP19A1
SCHEMBL27318735 0.65 ALDH1A1 (0.32) GAAALDH1A1SMN1; SMN2
SCHEMBL875232 0.64 BCHE (0.47) ABCB1ARABCG2GAARAB9A
SCHEMBL17708802 0.63 CYP19A1 (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL17708805 0.63 CYP19A1 (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL12264771 0.62 ABCB1 (0.66) ABCB1ARABCG2GAARAB9A
SCHEMBL11381876 0.62 ABCB1 (0.66) ABCB1ARABCG2GAARAB9A
Hydrochloric Acid SCHEMBL17708867 0.62 GAA (0.37) GAAMAPTMAPK1HTTCYP19A1
SCHEMBL12264785 0.62 ABCB1 (0.48) ABCB1ARABCG2GAARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125538-A ANALGESIC, ANTITUSSIVE BRISTOL-MYERS COMPANY (US) 1978-11-14 US disclosed